methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate

C15H13BrClNO4S — CID 55353794

IUPACmethyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H13BrClNO4S/c1-9-3-5-11(17)8-13(9)18-23(20,21)14-6-4-10(16)7-12(14)15(19)22-2/h3-8,18H,1-2H3
InChIKeyVLACUWYSEUVBTP-UHFFFAOYSA-N
MW418.70 g/mol
LogP4.00
Rot. Bonds4

About methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate

methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate (PubChem CID 55353794) has the molecular formula C15H13BrClNO4S and a molecular weight of 418.70 g/mol. Its IUPAC name is methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate
PubChem CID55353794
Molecular FormulaC15H13BrClNO4S
Molecular Weight418.70 g/mol
Exact Mass416.94
IUPAC Namemethyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H13BrClNO4S/c1-9-3-5-11(17)8-13(9)18-23(20,21)14-6-4-10(16)7-12(14)15(19)22-2/h3-8,18H,1-2H3
InChIKeyVLACUWYSEUVBTP-UHFFFAOYSA-N
XLogP4.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.70
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate
CID 51557872
4-bromo-5-[(5-chloro-2-methylphenyl)sulfamoyl]-2-methoxybenzoic acid
CID 71845669
methyl 2-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-4-chlorobenzoate
CID 2493561
3-bromo-4-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 78851015
2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 35508307
methyl 5-bromo-2-[(2-propan-2-ylphenyl)sulfamoyl]benzoate
CID 51557833
methyl 5-bromo-2-[(2,6-diethylphenyl)sulfamoyl]benzoate
CID 112769236
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381
methyl 3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-4-methylbenzoate
CID 17480007
N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22775089
methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate
CID 54141617
N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide
CID 3697865

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate (CID 55353794) is methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate is COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate?
The InChIKey is VLACUWYSEUVBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO4S/c1-9-3-5-11(17)8-13(9)18-23(20,21)14-6-4-10(16)7-12(14)15(19)22-2/h3-8,18H,1-2H3.
What are the key properties of methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate?
methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate has a molecular weight of 418.70 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 55353794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).